CF3_prot_ket

GENERAL INFO

Title:	CF3_prot_ket
Browse item:	https://iochem-bd.bsc.es:443/browse/handle/100/200929
Program:	Gaussian 09 AM64L-G09RevD.01
Author:	Laconsay, Croix
Formula:
Calculation type:	Single point Structure
Method(s):	RM062X

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-7.3110	1.1795	-1.2130	7.5042

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-72.9117	-82.3195	-94.8866	-5.3345	1.4602	3.1779

JOB |

Energies

Mulliken charges

Dipole moment (Debye)

Dipole moment

X	Y	Z	Total
-7.2494	1.3576	-1.2508	7.4808

Quadrupole moment

XX	YY	ZZ	XY	XZ	YZ
-73.1027	-82.1921	-95.0411	-5.6668	1.6821	3.2155

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